REMARK VINA RESULT: -5.3 1.726 5.217 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 0.665 -0.108 9.326 0.00 0.00 0.055 C ATOM 2 C UNL d 1 0.214 -1.330 8.807 0.00 0.00 0.055 C ATOM 3 C UNL d 1 2.048 0.135 9.416 0.00 0.00 0.018 C ATOM 4 C UNL d 1 1.139 -2.355 8.566 0.00 0.00 0.018 C ATOM 5 C UNL d 1 2.965 -0.871 9.113 0.00 0.00 0.001 C ATOM 6 C UNL d 1 2.509 -2.131 8.736 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -0.211 0.893 9.986 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -0.477 0.848 11.175 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -0.838 1.637 9.043 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.098 2.254 9.382 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -3.286 1.730 8.580 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -4.633 2.315 8.999 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -4.792 3.804 8.702 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -1.203 -1.597 8.496 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -1.787 -1.121 7.537 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -1.754 -2.342 9.489 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -2.766 -1.706 10.291 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -4.167 -2.241 9.994 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -5.250 -1.165 10.058 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -6.570 -1.659 9.481 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10